4-Amino-7-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-5-Carboxamide
Properties
Property | Value |
---|---|
Formula | C12H15N5O5 |
IUPAC Name | 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carboxamide |
Molecular Mass | 309.278 g·mol−1 |
Heat of Formation | -698.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.11 ± 1.08 D |
Volume | 332.26 Å 3 |
Surface Area | 294.55 Å 2 |
HOMO Energy | -8.80 ± 0.55 eV |
LUMO Energy | -0.61 ± eV |
Point Group Symmetry | C1 |
InChIKey | NLZVTXGVNVAURJ-GVYNHYCVSA-O |
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Elements | H C O N |